1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine

C15H15ClFNO — CID 43480952

IUPAC1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H15ClFNO/c1-18-15(11-5-3-4-6-13(11)17)10-7-8-14(19-2)12(16)9-10/h3-9,15,18H,1-2H3
InChIKeyIZBXJGKAWHPOAZ-UHFFFAOYSA-N
MW279.74 g/mol
LogP3.80
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine

1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine (PubChem CID 43480952) has the molecular formula C15H15ClFNO and a molecular weight of 279.74 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
PubChem CID43480952
Molecular FormulaC15H15ClFNO
Molecular Weight279.74 g/mol
Exact Mass279.08
IUPAC Name1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1ccc(OC)c(Cl)c1)c1ccccc1F
InChIInChI=1S/C15H15ClFNO/c1-18-15(11-5-3-4-6-13(11)17)10-7-8-14(19-2)12(16)9-10/h3-9,15,18H,1-2H3
InChIKeyIZBXJGKAWHPOAZ-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methoxyphenyl)-1-(2,3-difluorophenyl)-N-methylmethanamine
CID 62649514
1-(4-chloro-2-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480929
1-(3-chloro-4-methoxyphenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 43480974
1-(2-fluorophenyl)-1-(4-methoxy-3-methylphenyl)-N-methylmethanamine
CID 43487462
1-(3-chloro-4-methoxyphenyl)-1-(2-ethoxyphenyl)-N-methylmethanamine
CID 43480963
1-(2-bromo-4-fluorophenyl)-1-(3-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43480979
1-(5-chloro-2-methoxyphenyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 104545899
1-(5-chloro-2-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43481413
1-(3-chloro-4-methoxyphenyl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 43480965
N-[(2-chloro-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81454945
1-(5-bromo-2-methoxyphenyl)-1-(4-chloro-3-fluorophenyl)-N-methylmethanamine
CID 107998570
N-[(2-bromo-3-fluorophenyl)-(3-chloro-4-methoxyphenyl)methyl]ethanamine
CID 81499377

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine (CID 43480952) is 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine is CNC(c1ccc(OC)c(Cl)c1)c1ccccc1F.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
The InChIKey is IZBXJGKAWHPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFNO/c1-18-15(11-5-3-4-6-13(11)17)10-7-8-14(19-2)12(16)9-10/h3-9,15,18H,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine?
1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine has a molecular weight of 279.74 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-1-(2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 43480952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).